1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one

C21H19F3N4O4 — CID 110242925

IUPAC1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
SMILESCc1ccc(C(=O)N2CCOC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(=O)n1C
InChIInChI=1S/C21H19F3N4O4/c1-12-6-7-15(19(29)27(12)2)20(30)28-8-9-31-16(11-28)18-25-17(26-32-18)13-4-3-5-14(10-13)21(22,23)24/h3-7,10,16H,8-9,11H2,1-2H3
InChIKeyHUFOCMOBHKNYNG-UHFFFAOYSA-N
MW448.40 g/mol
LogP2.98
Rot. Bonds3

About 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one

1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one (PubChem CID 110242925) has the molecular formula C21H19F3N4O4 and a molecular weight of 448.40 g/mol. Its IUPAC name is 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
PubChem CID110242925
Molecular FormulaC21H19F3N4O4
Molecular Weight448.40 g/mol
Exact Mass448.14
IUPAC Name1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
SMILESCc1ccc(C(=O)N2CCOC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(=O)n1C
InChIInChI=1S/C21H19F3N4O4/c1-12-6-7-15(19(29)27(12)2)20(30)28-8-9-31-16(11-28)18-25-17(26-32-18)13-4-3-5-14(10-13)21(22,23)24/h3-7,10,16H,8-9,11H2,1-2H3
InChIKeyHUFOCMOBHKNYNG-UHFFFAOYSA-N
XLogP2.98
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4,5-dimethylthiophen-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92598338
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92580782
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 110242920
(1-propylpyrazol-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92590816
3-(3-methylpyrazol-1-yl)-1-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
CID 92562548
3-[(2S)-2-(6-amino-2-pyridinyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 124987060
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594
(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 110224472
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 167893080
(1-ethylpyrazol-4-yl)-[(2R)-2-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92590071
[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 92604247
2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 71784129

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one?
The IUPAC name of 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one (CID 110242925) is 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one?
The canonical SMILES for 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one is Cc1ccc(C(=O)N2CCOC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one?
The InChIKey is HUFOCMOBHKNYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c1-12-6-7-15(19(29)27(12)2)20(30)28-8-9-31-16(11-28)18-25-17(26-32-18)13-4-3-5-14(10-13)21(22,23)24/h3-7,10,16H,8-9,11H2,1-2H3.
What are the key properties of 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one?
1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one has a molecular weight of 448.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one is sourced from PubChem (CID 110242925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).